N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C15H17ClFN3 — CID 129474044

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESFc1cccc(Cl)c1CNC[C@@H]1CCc2nccn2C1
InChIInChI=1S/C15H17ClFN3/c16-13-2-1-3-14(17)12(13)9-18-8-11-4-5-15-19-6-7-20(15)10-11/h1-3,6-7,11,18H,4-5,8-10H2/t11-/m0/s1
InChIKeyKYRZTAGHPBALLP-NSHDSACASA-N
MW293.77 g/mol
LogP3.03
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129474044) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129474044
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESFc1cccc(Cl)c1CNC[C@@H]1CCc2nccn2C1
InChIInChI=1S/C15H17ClFN3/c16-13-2-1-3-14(17)12(13)9-18-8-11-4-5-15-19-6-7-20(15)10-11/h1-3,6-7,11,18H,4-5,8-10H2/t11-/m0/s1
InChIKeyKYRZTAGHPBALLP-NSHDSACASA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
CID 128992936
1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 129474085
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 43215545
1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 129473583
N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 61011641
(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 834291
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 834224
1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine
CID 43370931
N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-5-carboxamide
CID 129472235
(3R)-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-3-carboxamide
CID 129478050
N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine
CID 46231607
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129474044) is N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is Fc1cccc(Cl)c1CNC[C@@H]1CCc2nccn2C1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is KYRZTAGHPBALLP-NSHDSACASA-N. The full InChI is InChI=1S/C15H17ClFN3/c16-13-2-1-3-14(17)12(13)9-18-8-11-4-5-15-19-6-7-20(15)10-11/h1-3,6-7,11,18H,4-5,8-10H2/t11-/m0/s1.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 293.77 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129474044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).